N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide

C27H27N5O3 — CID 15956177

IUPACN-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)cc1
InChIInChI=1S/C27H27N5O3/c1-34-23-9-2-19(3-10-23)17-28-27(33)20-4-11-25-24(16-20)26(30-18-29-25)31-21-5-7-22(8-6-21)32-12-14-35-15-13-32/h2-11,16,18H,12-15,17H2,1H3,(H,28,33)(H,29,30,31)
InChIKeyMNYKZIAYWQZFKP-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.15
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide

N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide (PubChem CID 15956177) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide
PubChem CID15956177
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)cc1
InChIInChI=1S/C27H27N5O3/c1-34-23-9-2-19(3-10-23)17-28-27(33)20-4-11-25-24(16-20)26(30-18-29-25)31-21-5-7-22(8-6-21)32-12-14-35-15-13-32/h2-11,16,18H,12-15,17H2,1H3,(H,28,33)(H,29,30,31)
InChIKeyMNYKZIAYWQZFKP-UHFFFAOYSA-N
XLogP4.15
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide
CID 2501443
ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 143267063
N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
CID 164577998
4-methoxy-N-[3-[[[6-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 174753942
2-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 90920909
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 69248088
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052299
6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 15956172
6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 68878121
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide (CID 15956177) is N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide is COc1ccc(CNC(=O)c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide?
The InChIKey is MNYKZIAYWQZFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-34-23-9-2-19(3-10-23)17-28-27(33)20-4-11-25-24(16-20)26(30-18-29-25)31-21-5-7-22(8-6-21)32-12-14-35-15-13-32/h2-11,16,18H,12-15,17H2,1H3,(H,28,33)(H,29,30,31).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide is sourced from PubChem (CID 15956177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).